60758-84-1

• 常用中文名：4-丙氧基苄腈
• 常用英文名：4-propoxybenzonitrile
• CAS号：60758-84-1
• 分子式：C₁₀H₁₁NO
• 分子量：161.20000
• 发布时间：2018-05-16 08:00:00
• 更新时间：2024-01-08 08:42:54
• 下载msds

名称

• 中文名: 4-丙氧基苯甲腈
• 英文名: 4-propoxybenzonitrile
• 英文别名: 4-propoxybenzenecarbonitrile; propoxy-4 benzonitrile; 4-Propoxy-benzonitril; 4-Propyloxy-benzoesaeure-nitril; 4-Propyloxy-benzonitril; 4-Propoxy-benzonitrile; 4-cyanophenyl propyl ether

物化性质

• 密度: 1.03
• 沸点: 280.2ºC
• 分子式: C₁₀H₁₁NO
• 分子量: 161.20000
• 闪点: 117.7ºC
• 精确质量: 161.08400
• PSA: 33.02000
• LogP: 2.34708
• 外观性状: 白色固体
• 折射率: 1.515
• 储存条件:

  在密封的贮藏器内，并放置阴凉，干燥的地方保存

• 稳定性:

  避免接触氧化物

• 分子结构:

  1.摩尔折射率：46.94

  2.摩尔体积（m³/mol）：155.5

  3.等张比容（90.2K）：391.7

  4.表面张力（dyne/cm）：40.2

  5.极化率（10^-24cm³）：18.61

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积33

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:162

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/cm³ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（°）：未确定

  8. 闪点（℉）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值（25℃）：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性(mg/mL 20 ºC)：水：未确定

MSDS

Name: 4-Propoxybenzonitrile 97% Material Safety Data Sheet Synonym: CAS: 60758-84-1 Section 1 - Chemical Product MSDS Name:4-Propoxybenzonitrile 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 60758-84-1 4-Propoxybenzonitrile 97% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 60758-84-1: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C10H11NO Molecular Weight: 161 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Acids, bases, oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 60758-84-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Propoxybenzonitrile - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 60758-84-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 60758-84-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 60758-84-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 36/37
• 海关编码: 2926909090

合成路线

767-00-0 106-94-5 ~92% 60758-84-1

文献：Reynaud, Pierre; Brion, Jean-Daniel; Nguyen-Tri-Xuong, Emmanuel; Davrinche, Catherine; Pieri, Francois; Arnold-Guerin, Marie-Luce European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 427 - 434

33148-47-9 ~98% 60758-84-1 100-46-9

文献：Maegawa, Tomohiro; Fujita, Yuki; Sakurai, Ai; Akashi, Akira; Sato, Mutsumi; Oono, Keiji; Sajiki, Hironao Chemical and Pharmaceutical Bulletin, 2007 , vol. 55, # 5 p. 837 - 839

767-00-0 107-08-4 ~% 60758-84-1

文献：Journal of Medicinal Chemistry, , vol. 35, # 7 p. 1191 - 1200

52805-36-4 ~% 60758-84-1

文献：Journal of the Chemical Society. Perkin Transactions 2, , # 5 p. 985 - 990

33148-47-9 ~% 60758-84-1

文献：Journal of the Chemical Society. Perkin Transactions 2, , # 5 p. 985 - 990

3328-57-2 106-94-5 ~% 60758-84-1

文献：Journal of the Chemical Society, , p. 3043,3046

上下游产品

上游产品  6
767-00-0 106-94-5 33148-47-9 107-08-4
52805-36-4 3328-57-2
下游产品  4
21244-33-7 767-00-0 135420-40-5 125575-13-5

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%